SCHEMBL1152637

SCHEMBL1152637

C[C@@H](NC(=O)C1(C(=O)N[C@H](C)C(O)(c2ccccc2)c2ccccc2)CCCC1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP1A2 P05177 1/20 0.38
KCNA5 P22460 1/20 0.38
AKR1C1 Q04828 1/20 0.37
HDAC4 P56524 3/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MME P08473 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CETP P11597 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1154107 0.99 ALDH1A1 (0.42) ALDH1A1MAN2A1MAN1B1CYP2D6CYP1A2
SCHEMBL1152673 0.97 ALDH1A1 (0.43) ALDH1A1MAN2A1MAN1B1CYP2D6CYP1A2
SCHEMBL1153961 0.94 ALDH1A1 (0.41) ALDH1A1MAN2A1MAN1B1CYP2D6CYP1A2
SCHEMBL1153031 0.87 KEAP1 (0.35) ALDH1A1CYP2D6CYP1A2CYP2C19HPGD
SCHEMBL1154104 0.86 ALDH1A1 (0.41) ALDH1A1CYP2D6CYP1A2KCNA5AKR1C1
SCHEMBL1153127 0.86 MEN1 (0.35) ALDH1A1CYP1A2CYP2C19HPGDCYP3A4
SCHEMBL1153485 0.85 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP1A2KCNA5AKR1C1
SCHEMBL1153576 0.84 CASP1 (0.37) ALDH1A1CYP2D6CYP1A2CYP2C19HPGD
SCHEMBL1153280 0.83 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDCYP3A4MEN1
SCHEMBL1153629 0.83 CTSL (0.40) ALDH1A1CYP2D6CYP1A2CYP2C19HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943799-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-24 US disclosed
US-7842839-B2 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-30 US disclosed
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-17 US disclosed
EP-1698617-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENE BISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF Sumitomo Chemical Company, Limited (JP) 2006-09-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070112201-A1 Method for producing optically active cycloalkylidenebisoxazoline compound and intermediate thereof CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885MAN2A1 1304/4885MAN1B1 1412/4885
US-20110046415-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLOALKYLIDENEBISOXAZOLINE COMPOUND AND INTERMEDIATE THEREOF CYP3A7, GRK7, CYP2A7 ALDH1A1 610/4885MAN2A1 1304/4885MAN1B1 1412/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.